Three New Silver Uranyl Diphosphonates: Structures and Properties
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- 作者：Anna-Gay D. Nelson ; Zsolt Rak ; Thomas E. Albrecht-Schmitt ; Udo Becker ; Rodney C. Ewing
- 刊名：Inorganic Chemistry
- 出版年：2014
- 出版时间：March 17, 2014
- 年：2014
- 卷：53
- 期：6
- 页码：2787-2796
- 全文大小：626K
- 年卷期：v.53,no.6(March 17, 2014)
- ISSN：1520-510X
文摘
The hydrothermal reaction of uranium trioxide and methylenediphosphonic acid in the presence of silver nitrate resulted in the formation of three new uranyl coordination polymers: AgUO2[CH2(PO3)(PO3H)] (Ag-1), [Ag2(H2O)1.5]{(UO2)2[CH2(PO3)2]F2}路(H2O)0.5 (Ag-2), and Ag2UO2[CH2(PO3)2] (Ag-3). All consist of uranyl pentagonal bipyramids that form two-dimensional layered structures. Ag-1 and Ag-3 possess the same structural building unit, but the structures are different; Ag-3 is formed through edge-sharing of F atoms to form UO5F2 dimers. The pH and silver cation have significant effects on the structure that is synthesized. Raman spectra of single crystals of Ag-1, Ag-2, and Ag-3 reveal v1 UO22+ symmetric stretches of 816 and 829, 822, and 802 cm鈥?, respectively. Electronic structure calculations were performed using the projector augmented wave (PAW) method with density functional theory (DFT) to gain insight into the nature of bonding and electronic characteristics of the synthesized compounds. Herein, we report the syntheses, crystal structures, Raman spectroscopy, and luminescent behavior of these three compounds.